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1279866-58-8 | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1279866-58-8 Catalog No: AG000XN5 MDL No:MFCD22209368
Product Description
Catalog Number:
AG000XN5
Chemical Name:
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1279866-58-8
Molecular Formula:
C14H27ClN2O2
Molecular Weight:
290.8294
MDL Number:
MFCD22209368
IUPAC Name:
tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate;hydrochloride
InChI:
InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-9-6-14(7-10-16)5-4-8-15-11-14;/h15H,4-11H2,1-3H3;1H
InChI Key:
LPRFEBCQOPCLMH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCCNC2)OC(C)(C)C.Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.176g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.832g/mol
Monoisotopic Mass:
290.176g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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